6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine

C14H27F3N2 — CID 116534627

IUPAC6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCC(C)N1CCCCC1
InChIInChI=1S/C14H27F3N2/c1-12(7-6-8-14(15,16)17)18-11-13(2)19-9-4-3-5-10-19/h12-13,18H,3-11H2,1-2H3
InChIKeyVYDWOKPILIKMSF-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.57
Rot. Bonds7

About 6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine

6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine (PubChem CID 116534627) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine
PubChem CID116534627
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCC(C)N1CCCCC1
InChIInChI=1S/C14H27F3N2/c1-12(7-6-8-14(15,16)17)18-11-13(2)19-9-4-3-5-10-19/h12-13,18H,3-11H2,1-2H3
InChIKeyVYDWOKPILIKMSF-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine
CID 102696096
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol
CID 116534784
1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225924
N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine
CID 113350724
6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine
CID 116534698
1-methoxy-3-(6,6,6-trifluorohexan-2-ylamino)propan-2-ol
CID 116534815
[1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol
CID 116534943
N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957846
2-methyl-4-(2-piperidin-1-ylpropylamino)butan-2-ol
CID 79361764
2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine
CID 116534156
N-(2-morpholin-4-ylpropyl)hexan-2-amine
CID 115708396

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine (CID 116534627) is 6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine is CC(CCCC(F)(F)F)NCC(C)N1CCCCC1.
What is the InChIKey of 6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine?
The InChIKey is VYDWOKPILIKMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-12(7-6-8-14(15,16)17)18-11-13(2)19-9-4-3-5-10-19/h12-13,18H,3-11H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine?
6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine has a molecular weight of 280.38 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine is sourced from PubChem (CID 116534627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).